General Information of the Compound
| Compound ID |
CP0914501
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| Compound Name |
Diphosphoric Acid 1-beta-Glycerol Ester 2-(Uridine-5'-yl)ester,bis-Triethylammonium Salt
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| Structure |
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| Formula |
C18H35N3O14P2
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| Molecular Weight |
579.433
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| Canonical SMILES |
CCN(CC)CC.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC(CO)CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
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| InChI |
InChI=1S/C12H20N2O14P2.C6H15N/c15-3-6(4-16)27-30(23,24)28-29(21,22)25-5-7-9(18)10(19)11(26-7)14-2-1-8(17)13-12(14)20;1-4-7(5-2)6-3/h1-2,6-7,9-11,15-16,18-19H,3-5H2,(H,21,22)(H,23,24)(H,13,17,20);4-6H2,1-3H3/t7-,9-,10-,11-;/m1./s1
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| InChIKey |
YXDWUVJPLSPSFV-VYFIMUGFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05434, P2Y purinoceptor 14
Protein ID: PT02796, P2Y purinoceptor 6